First-principle study on optical properties of N-La-codoped anatase TiO
文献类型：期刊论文
| 作者 | Wang Q(王青)1; Liang JF(梁纪锋)1; Zhang RH(张仁辉)2 ; Li Q(李强)3; Dai JF(戴剑锋)1
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| 刊名 | Chinese Physics B
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| 出版日期 | 2013 |
| 卷号 | 22期号:5页码:057801(1-4) |
| 关键词 | optical property first-principle study electronic structure deformation charge density |
| ISSN号 | 1674-1056 |
| 通讯作者 | 王青 |
| 英文摘要 | The electronic structures, deformation charge density, dipole moment, and optical properties of N-La-codoped anatase titanium dioxide (TiO2) are studied using the plane-wave ultrasoft pseudopotential method based on the density functional theory (DFT). The optical properties of two-ion-doped TiO2 are analyzed via electronic structures, deformation charge density, and dipole moment. For the model of N-La-doped TiO2, a smaller atom fraction of N and La atoms induces better optical properties. The absorption edges of two doped TiO2 models redshift to the visible-light region. |
| 学科主题 | 材料科学与物理化学 |
| 收录类别 | SCI |
| 资助信息 | the National Natural Science Foundation of China (Grant No. 50873047) |
| 语种 | 英语 |
| WOS记录号 | WOS:000319498300086 |
| 源URL | [http://210.77.64.217/handle/362003/18213]  |
| 专题 | 兰州化学物理研究所_固体润滑国家重点实验室 |
| 作者单位 | 1.Lanzhou Univ Technol, Sch Sci, Lanzhou 730050, Peoples R China 2.Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China 3.Yibin Univ, Sichuan Prov Key Lab Computat Phys, Yibin 644000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang Q,Liang JF,Zhang RH,et al. First-principle study on optical properties of N-La-codoped anatase TiO[J]. Chinese Physics B,2013,22(5):057801(1-4). |
| APA | Wang Q,Liang JF,Zhang RH,Li Q,&Dai JF.(2013).First-principle study on optical properties of N-La-codoped anatase TiO.Chinese Physics B,22(5),057801(1-4). |
| MLA | Wang Q,et al."First-principle study on optical properties of N-La-codoped anatase TiO".Chinese Physics B 22.5(2013):057801(1-4). |
入库方式： OAI收割
来源：兰州化学物理研究所
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